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CHEBI:38240 - solanapyrone D

ChEBI IDCHEBI:38240
ChEBI Namesolanapyrone D
Stars
Last Modified6 January 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILES[H]C(=O)c1c(OC)cc([C@@H]2[C@H](C)C=C[C@]3([H])CCCC[C@@]23[H])oc1=O
InChIInChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13-,17-/m1/s1
InChIKeyAWQLNKJBXASXDU-IPJQOSJUSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
solanapyrone D (CHEBI:38240) is a octahydronaphthalenes (CHEBI:138397)
solanapyrone D (CHEBI:38240) is a pyrancarbaldehyde (CHEBI:38332)
solanapyrone D (CHEBI:38240) is a solanapyrone (CHEBI:38230)
IUPAC Name 
4-methoxy-6-[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2H-pyran-3-carbaldehyde
UniProt Name  Source
solanapyrone DUniProt
Registry NumbersSources
Beilstein:6960745Beilstein